Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/94762
Title: Selective attachment of benzaldehyde on Si (100) -2×1: Structure, selectivity, and mechanism
Authors: Huang, H.G.
Zhang, Y.P. 
Cai, Y.H.
Huang, J.Y.
Yong, K.S.
Xu, G.Q. 
Issue Date: 8-Sep-2005
Citation: Huang, H.G., Zhang, Y.P., Cai, Y.H., Huang, J.Y., Yong, K.S., Xu, G.Q. (2005-09-08). Selective attachment of benzaldehyde on Si (100) -2×1: Structure, selectivity, and mechanism. Journal of Chemical Physics 123 (10) : -. ScholarBank@NUS Repository.
Abstract: The interaction of benzaldehyde with the Si(100) surface has been investigated as a model system for understanding the interaction of conjugated π -electron systems with semiconductor surfaces. Vibrational features of chemisorbed benzaldehyde unambiguously demonstrate that the carbonyl group directly interacts with the Si surface dangling bonds, evidenced in the disappearance of the C=O stretching mode around 1713 cm-1 coupled with the retention of all vibrational signatures of its phenyl ring. X-ray photoemission spectroscopy shows that both C 1s and O 1s binding energies of the carbonyl group display large downshifts by 1.9 and 1.3 eV, respectively. Vibrational and electronic results show that the covalent attachment of benzaldehyde on Si(100) occurs in a highly selective manner through the direct interaction of both C and O atoms of the carbonyl group with a Si=Si dimer to form a four-membered Si-C-O-Si ring at the interface, leaving a nearly unperturbed phenyl ring protruding into vacuum. This conclusion is further confirmed by the observation of a predominant protrusion for benzaldehyde adsorbed on Si (100) -2×1 in scanning tunneling microscopy experiments, consistent with the predication of density-functional theory calculation. © 2005 American Institute of Physics.
Source Title: Journal of Chemical Physics
URI: http://scholarbank.nus.edu.sg/handle/10635/94762
ISSN: 00219606
Appears in Collections:Staff Publications

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